2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide

C17H19N3O2S — CID 108737269

IUPAC2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1cc(C)c2onc(CC(=O)NC(C)c3csc(C)n3)c2c1
InChIInChI=1S/C17H19N3O2S/c1-9-5-10(2)17-13(6-9)14(20-22-17)7-16(21)18-11(3)15-8-23-12(4)19-15/h5-6,8,11H,7H2,1-4H3,(H,18,21)
InChIKeyBGIKEFDSTUNYNV-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.63
Rot. Bonds4

About 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide

2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 108737269) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID108737269
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1cc(C)c2onc(CC(=O)NC(C)c3csc(C)n3)c2c1
InChIInChI=1S/C17H19N3O2S/c1-9-5-10(2)17-13(6-9)14(20-22-17)7-16(21)18-11(3)15-8-23-12(4)19-15/h5-6,8,11H,7H2,1-4H3,(H,18,21)
InChIKeyBGIKEFDSTUNYNV-UHFFFAOYSA-N
XLogP3.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 108737269) is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is Cc1cc(C)c2onc(CC(=O)NC(C)c3csc(C)n3)c2c1.
What is the InChIKey of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is BGIKEFDSTUNYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-9-5-10(2)17-13(6-9)14(20-22-17)7-16(21)18-11(3)15-8-23-12(4)19-15/h5-6,8,11H,7H2,1-4H3,(H,18,21).
What are the key properties of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 329.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 108737269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).